CID 118656874

Schembl17432221

Structural Information

Molecular Formula
C8H6FNO3
SMILES
COC(=O)C1=NC(=C(C=C1)F)C=O
InChI
InChI=1S/C8H6FNO3/c1-13-8(12)6-3-2-5(9)7(4-11)10-6/h2-4H,1H3
InChIKey
NPCKQAIQMFXXRR-UHFFFAOYSA-N
Compound name
methyl 5-fluoro-6-formylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

183.03317 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04045 132.1
[M+Na]+ 206.02239 142.1
[M-H]- 182.02589 133.8
[M+NH4]+ 201.06699 151.0
[M+K]+ 221.99633 140.8
[M+H-H2O]+ 166.03043 125.0
[M+HCOO]- 228.03137 154.8
[M+CH3COO]- 242.04702 180.4
[M+Na-2H]- 204.00784 137.8
[M]+ 183.03262 134.0
[M]- 183.03372 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe